8-chloro-2-propan-2-yl-N-propylquinolin-4-amine

C15H19ClN2 — CID 63480780

IUPAC8-chloro-2-propan-2-yl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C(C)C)nc2c(Cl)cccc12
InChIInChI=1S/C15H19ClN2/c1-4-8-17-14-9-13(10(2)3)18-15-11(14)6-5-7-12(15)16/h5-7,9-10H,4,8H2,1-3H3,(H,17,18)
InChIKeyJKYHWNDGXSVBIJ-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.83
Rot. Bonds4

About 8-chloro-2-propan-2-yl-N-propylquinolin-4-amine

8-chloro-2-propan-2-yl-N-propylquinolin-4-amine (PubChem CID 63480780) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 8-chloro-2-propan-2-yl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name8-chloro-2-propan-2-yl-N-propylquinolin-4-amine
PubChem CID63480780
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name8-chloro-2-propan-2-yl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C(C)C)nc2c(Cl)cccc12
InChIInChI=1S/C15H19ClN2/c1-4-8-17-14-9-13(10(2)3)18-15-11(14)6-5-7-12(15)16/h5-7,9-10H,4,8H2,1-3H3,(H,17,18)
InChIKeyJKYHWNDGXSVBIJ-UHFFFAOYSA-N
XLogP4.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-2-(difluoromethyl)-N-ethylquinolin-4-amine
CID 62890710
N-ethyl-2-propan-2-yl-8-propylquinolin-4-amine
CID 63484564
8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 63480623
8-fluoro-6-methyl-2-propan-2-yl-N-propylquinolin-4-amine
CID 63479615
N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine
CID 82448950
N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
CID 82448955
1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone
CID 82448971
8-(difluoromethoxy)-2-(difluoromethyl)-N-propylquinolin-4-amine
CID 62892984
8-chloro-2-ethyl-3-methyl-N-propylquinolin-4-amine
CID 63560531
6-N,6-N-dimethyl-2-propan-2-yl-4-N-propylquinoline-4,6-diamine
CID 63481209
2-ethyl-8-methyl-N-propylquinolin-4-amine
CID 63481626
5-bromo-8-fluoro-2-propan-2-yl-N-propylquinolin-4-amine
CID 63480185

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-propan-2-yl-N-propylquinolin-4-amine?
The IUPAC name of 8-chloro-2-propan-2-yl-N-propylquinolin-4-amine (CID 63480780) is 8-chloro-2-propan-2-yl-N-propylquinolin-4-amine.
What is the SMILES notation for 8-chloro-2-propan-2-yl-N-propylquinolin-4-amine?
The canonical SMILES for 8-chloro-2-propan-2-yl-N-propylquinolin-4-amine is CCCNc1cc(C(C)C)nc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-propan-2-yl-N-propylquinolin-4-amine?
The InChIKey is JKYHWNDGXSVBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-4-8-17-14-9-13(10(2)3)18-15-11(14)6-5-7-12(15)16/h5-7,9-10H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 8-chloro-2-propan-2-yl-N-propylquinolin-4-amine?
8-chloro-2-propan-2-yl-N-propylquinolin-4-amine has a molecular weight of 262.78 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-propan-2-yl-N-propylquinolin-4-amine is sourced from PubChem (CID 63480780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).